3-[2-azanyl-4-(4-chlorophenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-4-(4-chlorophenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid CAS Name: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[2-amino-4-(4-chlorophenyl)-7-keto-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propionic acid Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=C(N=C2C(=O)N1CCC(=O)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C2=C(N=C(N=C2C(=O)N1CCC(=O)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN4O3/c16-9-3-1-8(2-4-9)12-10-7-20(6-5-11(21)22)14(23)13(10)19-15(17)18-12/h1-4H,5-7H2,(H,21,22)(H2,17,18,19)